SCHEMBL19410197

SCHEMBL19410197

CC(C)(C)OC(=O)Cc1nn(CC(N)C(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 2/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ AKR1B1 P15121 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRIA1 P42261 2/20 0.35
▸ GRIA2 P42262 2/20 0.35
▸ GRIA3 P42263 2/20 0.35
▸ GRIA4 P48058 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30711162 0.84 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL19410138 0.84 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL19410139 0.84 SLC16A3 (0.46) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL19410131 0.83 SLC16A3 (0.43) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL30711153 0.81 SLC16A3 (0.49) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL30711150 0.77 L3MBTL1 (0.50) ALDH1A1KMT2ARECQLSLC7A5MAPT
SCHEMBL19410221 0.77 L3MBTL1 (0.50) ALDH1A1KMT2ARECQLSLC7A5MAPT
SCHEMBL30711161 0.74 SLC16A3 (0.48) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL23908941 0.73 KDM4E (0.46) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL23909083 0.72 KDM4E (0.51) SLC16A3ALDH1A1KDM4EKMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 — — EP disclosed
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — US disclosed
EP-3642220-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 Bristol-Myers Squibb Company (US) 2020-04-29 — — EP disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
WO-2018237153-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-27 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 SLC16A3 3875/4885ALDH1A1 3723/4885KDM4E 2736/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 SLC16A3 3875/4885ALDH1A1 3723/4885KDM4E 2736/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3333/4885ALDH1A1 4359/4885KDM4E 3194/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3386/4885ALDH1A1 3710/4885KDM4E 2895/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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